N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]methanesulfonamide

C11H14N2O3S2 — CID 110790838

IUPACN-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C11H14N2O3S2/c1-18(15,16)12-5-4-8-2-3-10-9(6-8)13-11(14)7-17-10/h2-3,6,12H,4-5,7H2,1H3,(H,13,14)
InChIKeyBERDDBXHORVMHS-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.82
Rot. Bonds4

About N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]methanesulfonamide

N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]methanesulfonamide (PubChem CID 110790838) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]methanesulfonamide
PubChem CID110790838
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC NameN-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C11H14N2O3S2/c1-18(15,16)12-5-4-8-2-3-10-9(6-8)13-11(14)7-17-10/h2-3,6,12H,4-5,7H2,1H3,(H,13,14)
InChIKeyBERDDBXHORVMHS-UHFFFAOYSA-N
XLogP0.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(sulfanylmethylamino)ethyl]-4H-1,4-benzothiazin-3-one
CID 115228287
6-[2-(cyclopropylamino)ethyl]-4H-1,4-benzothiazin-3-one
CID 82480367
2,2-dimethyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]propanamide
CID 110790796
3-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethylamino]propanenitrile
CID 115231132
6-[2-[ethyl(methyl)amino]ethyl]-4H-1,4-benzothiazin-3-one
CID 115259622
N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]cyclopentanecarboxamide
CID 110790797
2-(2-methylphenyl)-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]acetamide
CID 110790833
3-methyl-N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]benzamide
CID 110790803
6-[(propan-2-ylamino)methyl]-4H-1,4-benzothiazin-3-one
CID 82476497
N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]propanamide
CID 110784725
2-methyl-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzenesulfonamide
CID 110784806
6-[(2-aminoethylamino)methyl]-4H-1,4-benzothiazin-3-one
CID 115195329

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]methanesulfonamide (CID 110790838) is N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]methanesulfonamide?
The InChIKey is BERDDBXHORVMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S2/c1-18(15,16)12-5-4-8-2-3-10-9(6-8)13-11(14)7-17-10/h2-3,6,12H,4-5,7H2,1H3,(H,13,14).
What are the key properties of N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]methanesulfonamide?
N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]methanesulfonamide has a molecular weight of 286.38 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110790838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).